N-naphthalen-1-yl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-naphthalen-1-yl-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: 2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-N-(1-naphthyl)propanamide CAS Name: N-(1-naphthalenyl)-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-naphthalen-1-ylpropanamide Traditional Name: 2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]-N-(1-naphthyl)propionamide Formula: C29H30N4O3S2 MolecularWeight: 546.7035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S2/c1-22(29(34)31-27-13-7-11-24-10-5-6-12-26(24)27)37-28-15-14-25(20-30-28)38(35,36)33-18-16-32(17-19-33)21-23-8-3-2-4-9-23/h2-15,20,22H,16-19,21H2,1H3,(H,31,34)